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Fast Predictions of Reaction Barrier Heights: Toward Coupled-Cluster Accuracy
Submitted on
Sat, 2022-09-10 14:22
Title
Fast Predictions of Reaction Barrier Heights: Toward Coupled-Cluster Accuracy
Publication Type
Journal Article
Year of Publication
2022
Authors
Spiekermann, Kevin A
Pattanaik, Lagnajit
Green, William H
Journal
The Journal of Physical Chemistry A
Volume
126
Pagination
3976–3986
Keywords
DOI
http://dx.doi.org/https://doi.org/10.1021/acs.jpca.2c02614
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